dimethyl 5-(3-nitrophenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 5-(3-nitrophenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(3-nitrobenzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(3-nitrophenyl)-oxomethyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-nitrobenzoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-(3-nitrobenzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C15H11N3O7S MolecularWeight: 377.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC(=S)N1)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C(=NC(=S)N1)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O7S/c1-24-13(20)10-9(11(14(21)25-2)17-15(26)16-10)12(19)7-4-3-5-8(6-7)18(22)23/h3-6H,1-2H3,(H,16,17,26)